Molecule

ID:60460

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁N₃O₃
Molecular Mass
209.20194
Exact Mass
209.08004123
Charge
0
InChI
InChI=1S/C9H11N3O3/c1-15-7-5-3-2-4-6(7)11-8(13)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14)
InChIKey
DLDJHRZFVLNKPJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)Nc1ccccc1OC
Isomeric Smiles
C(=O)(C(=O)Nc1c(OC)cccc1)NN
Calculated Properties
JChem
Acid pKa
9.5685
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.09081302
LogD (pH = 7.4)
-0.09317553
Log P
-0.09053925
Molar Refractivity
55.4854
Polarizability
20.420897
Polar Surface Area
93.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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